[4-[(Z)-[2-(4-chloranyl-3-nitro-phenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]-2-ethoxy-6-iodanyl-phenyl] propanoate

Systemtic Name: [4-[(Z)-[2-(4-chloranyl-3-nitro-phenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]-2-ethoxy-6-iodanyl-phenyl] propanoate Openeye Name: [4-[(Z)-[2-(4-chloro-3-nitro-phenyl)-5-oxo-oxazol-4-ylidene]methyl]-2-ethoxy-6-iodo-phenyl] propanoate CAS Name: propanoic acid [4-[(Z)-[2-(4-chloro-3-nitrophenyl)-5-oxo-4-oxazolylidene]methyl]-2-ethoxy-6-iodophenyl] ester IUPAC Name: [4-[(Z)-[2-(4-chloro-3-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-ethoxy-6-iodophenyl] propanoate Traditional Name: propionic acid [4-[(Z)-[2-(4-chloro-3-nitro-phenyl)-5-keto-2-oxazolin-4-ylidene]methyl]-2-ethoxy-6-iodo-phenyl] ester Formula: C21H16ClIN2O7 MolecularWeight: 570.71841

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C=C(C=C1I)C=C2C(=O)OC(=N2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])OCC

Isomeric SMILES

CCC(=O)OC1=C(C=C(C=C1I)/C=C\2/C(=O)OC(=N2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])OCC

InChI

InChI=1S/C21H16ClIN2O7/c1-3-18(26)31-19-14(23)7-11(9-17(19)30-4-2)8-15-21(27)32-20(24-15)12-5-6-13(22)16(10-12)25(28)29/h5-10H,3-4H2,1-2H3/b15-8-